N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide

C14H19BrN2O — CID 113488714

IUPACN-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
SMILESCCC1(NCC(=O)Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(8-3-9-14)16-10-13(18)17-12-6-4-11(15)5-7-12/h4-7,16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyAYPJJXAVADAZQP-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.31
Rot. Bonds5

About N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide

N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide (PubChem CID 113488714) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
PubChem CID113488714
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
SMILESCCC1(NCC(=O)Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(8-3-9-14)16-10-13(18)17-12-6-4-11(15)5-7-12/h4-7,16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyAYPJJXAVADAZQP-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide (CID 113488714) is N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide is CCC1(NCC(=O)Nc2ccc(Br)cc2)CCC1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide?
The InChIKey is AYPJJXAVADAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(8-3-9-14)16-10-13(18)17-12-6-4-11(15)5-7-12/h4-7,16H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide?
N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide has a molecular weight of 311.22 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide is sourced from PubChem (CID 113488714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).